jjimenezluna/bioemu-rev

checkpoints/bioemu-rev/checkpoint.ckpt

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+version https://git-lfs.github.com/spec/v1
+oid sha256:c2fa4e3094d5db1b465024b95d87b976272a2d9b63b7bbb8e97e98a192350fa2
+size 125195114

checkpoints/bioemu-rev/config.yaml

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+score_model:
+  _target_: bioemu.shortcuts.DiGConditionalScoreModel
+  dim_hidden: 1024
+  dim_model: 512
+  dim_pair: 256
+  dim_single_rep: 64
+  dropout: 0.1
+  max_distance_relative: 128
+  num_buckets: 64
+  num_heads: 32
+  num_layers: 8
+sdes:
+  node_orientations:
+    _target_: bioemu.shortcuts.DiGSO3SDE
+    cache_dir: ~/sampling_so3_cache
+    eps_t: 0.001
+    l_max: 2000
+    num_omega: 2000
+    num_sigma: 1000
+    omega_exponent: 3
+    overwrite_cache: false
+    sigma_max: 2.33
+    sigma_min: 0.02
+    tol: 1.0e-07
+  pos:
+    _target_: bioemu.shortcuts.CosineVPSDE
+    s: 0.008